|
Catapleiite |
 |
Ilyushin G D, Voronkov A A, Ilyukhin V V, Nevskii N N, Belov N V |
| |
Doklady Akademii Nauk SSSR 260 (1981) 623-627 |
|
Crystal structure of natural monoclinic catapleiite, Na2ZrSi3O9*2H2O |
|
_database_code_amcsd 0012471 |
|
23.917 20.148 7.432 90 90 147.46 B2/b |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 0 .5 .6667 .043819 .026807 .030703 .029042 -.001815 -.000371 |
|
Na2 .25 0 .25 .6667 .066577 .046442 .053624 .043788 -.004157 .006252 |
|
Na3 .25 0 .75 .6667 .010880 .005263 .023545 .006437 .002989 -.003729 |
|
Na4 0 .25 .5059 .6667 .032274 .039731 .019321 .034390 .000000 .000000 |
|
Na5 .2531 .2550 .7568 .6667 .026275 .030369 .028683 .026057 .004562 .010089 |
|
Zr1 0 0 0 .013546 .011689 .012244 .011243 .000282 -.000093 |
|
Zr2 0 .25 .0074 .012794 .010974 .011236 .010471 .000000 .000000 |
|
Si1 .0976 .2221 .2996 .006324 .005217 .004486 .005144 -.001313 -.001331 |
|
Si2 .0995 .2252 .7077 .007604 .006589 .003337 .006294 .001722 .001290 |
|
Si3 .1972 .5723 .9985 .004183 .003723 .006391 .003268 .000081 .000181 |
|
O1 .3661 .9233 .4912 .022414 .029674 .026378 .024586 -.002138 -.002760 |
|
O2 .3666 .0586 .5100 .019021 .008094 .030548 .010321 -.000672 -.000928 |
|
O3 .0493 .1747 .5045 .009163 .014371 .006936 .008104 .000732 .000456 |
|
O4 .0711 .1285 .8027 .024338 .017391 .025717 .018152 .005997 .010263 |
|
O5 .0641 .2558 .8058 .026001 .030613 .023728 .026926 .005154 -.000525 |
|
O6 .2265 .3544 .6779 .006413 .009724 .007651 .004717 -.001085 -.001768 |
|
O7 .0620 .1203 .2020 .030852 .020046 .020921 .022640 -.003884 -.007471 |
|
O8 .0690 .2625 .2062 .031777 .025311 .022799 .026254 -.003976 .000952 |
|
O9 .2239 .3455 .3262 .009995 .014074 .009649 .008193 -.006103 -.004056 |
|
Wat1 .3315 .0362 .0078 .057238 .054624 .066070 .045751 -.004058 .001368 |
|
Wat2 .3371 .8816 .9908 .061917 .055961 .054355 .048617 -.007065 -.002559 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hilairite |
|
Ilyushin G D, Voronkov A A, Nevskii N N, Ilyukhin V V, Belov N V |
| |
Doklady Akademii Nauk SSSR 260 (1981) 1118-1120 |
|
Crystal structure of hilairite, Na2ZrSi3O9*3H2O |
|
_database_code_amcsd 0012472 |
|
10.556 10.556 15.855 90 90 120 R32 |
|
atom x y z occ Biso |
|
Na1 0 0 .1970 .800 7.9 |
|
Na2 .3888 0 .5 .678 2.6 |
|
Zr1 0 0 0 1.19 |
|
Zr2 0 0 .5 1.00 |
|
Si .4174 .4128 .2486 .72 |
|
O1 .0921 .1846 .0768 1.19 |
|
O2 .0989 .1902 .5720 1.18 |
|
O3 .6539 0 0 1.19 |
|
O4 .6434 0 .5 1.22 |
|
Wat .5000 .1460 .0630 3.63 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Umbite |
|
Ilyushin G D |
| |
Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy 29 (1993) 971-975 |
|
New data on the crystal structure of umbite K2ZrSi3O9*H2O |
|
_database_code_amcsd 0012738 |
|
10.207 13.241 7.174 90 90 90 P2_12_12_1 |
|
atom x y z occ |
|
K1 .0727 .5780 .7123 |
|
K2 .2093 .8653 .6496 |
|
Zr .0500 .7097 .2600 .86 |
|
Ti .0500 .7097 .2600 .14 |
|
Si1 .1760 .3277 .5048 |
|
Si2 .1376 .3331 .9180 |
|
Si3 .0328 .4519 .2304 |
|
O1 .1682 .6884 .0417 |
|
O2 .9857 .5638 .2694 |
|
O3 .2086 .6870 .4339 |
|
O4 .1132 .2302 .4086 |
|
O5 .0572 .2410 .9996 |
|
O6 .0792 .8662 .2446 |
|
O7 .0999 .3549 .7001 |
|
O8 .1559 .4265 .3729 |
|
O9 .0949 .4381 .0184 |
|
Wat .1814 .0645 .6278 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
